3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

C13H14N2O3S — CID 81259129

IUPAC3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C13H14N2O3S/c1-15(10-11-5-2-3-8-14-11)19(17,18)13-7-4-6-12(16)9-13/h2-9,16H,10H2,1H3
InChIKeyPQPICQIJICJZSP-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.61
Rot. Bonds4

About 3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide

3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 81259129) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID81259129
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCN(Cc1ccccn1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C13H14N2O3S/c1-15(10-11-5-2-3-8-14-11)19(17,18)13-7-4-6-12(16)9-13/h2-9,16H,10H2,1H3
InChIKeyPQPICQIJICJZSP-UHFFFAOYSA-N
XLogP1.61
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724645
3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 107090630
2-hydrazinyl-N-methyl-N-(pyridin-2-ylmethyl)pyridine-4-sulfonamide
CID 61004828
3-amino-4-chloro-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 43564918
4-tert-butyl-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 110724675
3-bromo-4-methoxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 51889739
3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzenesulfonamide
CID 81258946
N-[(3-chlorophenyl)methyl]-3-hydroxy-N-methylbenzenesulfonamide
CID 81258266
N-methyl-6-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-sulfonamide
CID 62148236
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
3-amino-4-fluoro-N,5-dimethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 115421252
3-hydroxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 81265085

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 81259129) is 3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is CN(Cc1ccccn1)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is PQPICQIJICJZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-15(10-11-5-2-3-8-14-11)19(17,18)13-7-4-6-12(16)9-13/h2-9,16H,10H2,1H3.
What are the key properties of 3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide?
3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 278.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81259129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).